[
  {
    "molid": "mol37135",
    "smiles": "O=C(NC(Cc1ccccc1)P(=O)(O)O)c1ccccc1",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(N[C@H](Cc1ccccc1)P(=O)([O-])O)c1ccccc1",
        "std_free_energy": -12.128649711608887,
        "relative_population": 0.9999743644147037
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C(N[C@H](Cc1ccccc1)P(=O)([O-])[O-])c1ccccc1",
        "std_free_energy": -11.780472755432129,
        "relative_population": 0.9998316931152194
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.76999998092651,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]